SCHEMBL5188789

SCHEMBL5188789

NC(=O)c1cc(=O)c2ccc(O)cc2o1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.76
LOXL2 Q9Y4K0 1/20 0.58
ALDH1A1 P00352 3/20 0.57
CYP19A1 P11511 2/20 0.57
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MPO P05164 1/20 0.57
MAPK1 P28482 1/20 0.57
QPCT Q16769 1/20 0.57
IP6K2 Q9UHH9 1/20 0.57
LCK P06239 1/20 0.55
CA12 O43570 1/20 0.54
AKR1B10 O60218 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30225130 1.00 AKR1B1 (0.76) AKR1B1LOXL2ALDH1A1CYP19A1MAOA
SCHEMBL30225092 0.86 MAOB (0.64) AKR1B1ALDH1A1MAOAMAOBCYP3A4
SCHEMBL5275063 0.86 AKR1B1 (1.00) AKR1B1LOXL2ALDH1A1CYP19A1MAOA
SCHEMBL7897423 0.85 AKR1B1 (0.69) AKR1B1LOXL2ALDH1A1CYP19A1MAOA
SCHEMBL30224951 0.81 MAOB (0.53) AKR1B1ALDH1A1MAOBKDM4EKMT2A
SCHEMBL8106900 0.81 POLB (0.62) AKR1B1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8119217 0.81 AKR1B1 (0.74) AKR1B1LOXL2ALDH1A1CYP19A1MAOA
SCHEMBL8116101 0.79 AKR1B1 (0.55) AKR1B1ALDH1A1MAOBKDM4ESMN1; SMN2
SCHEMBL29569747 0.79 KDM4E (0.74) ALDH1A1MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL1532188 0.79 KDM4E (0.74) ALDH1A1MAOAMAOBKDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
EP-0634409-B1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5659051-A Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0634409-A1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 EP disclosed
US-5082849-A Antiinflammatory agents or antiallergens AVENTIS PHARMACEUTICALS INC. 1992-01-21 US disclosed
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 AKR1B1 42/4885LOXL2 2767/4885ALDH1A1 2549/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 AKR1B1 42/4885LOXL2 2767/4885ALDH1A1 2549/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 AKR1B1 103/4885LOXL2 2233/4885ALDH1A1 2482/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.